1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine

C13H25NO — CID 103559403

IUPAC1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CC1(OC)CCC1)NC
InChIInChI=1S/C13H25NO/c1-4-5-6-8-12(14-2)11-13(15-3)9-7-10-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyTYKSUHFFUNKBDH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds8

About 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine

1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine (PubChem CID 103559403) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine
PubChem CID103559403
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CC1(OC)CCC1)NC
InChIInChI=1S/C13H25NO/c1-4-5-6-8-12(14-2)11-13(15-3)9-7-10-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyTYKSUHFFUNKBDH-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine
CID 103027273
2-methoxy-2-methyl-N-propylnon-8-en-4-amine
CID 103027274
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275
N-ethyl-2-methoxy-2-methyloct-7-en-4-amine
CID 103027277
2-methoxy-2-methyl-N-propyloct-7-en-4-amine
CID 103027278
6-methoxy-N,2,6-trimethylhept-1-en-4-amine
CID 103028491
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine (CID 103559403) is 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine is C=CCCCC(CC1(OC)CCC1)NC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine?
The InChIKey is TYKSUHFFUNKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-8-12(14-2)11-13(15-3)9-7-10-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine?
1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methylhept-6-en-2-amine is sourced from PubChem (CID 103559403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).